1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea

C7H12N4O2 — CID 131154196

IUPAC1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCONC(=O)NCc1ccnn1C
InChIInChI=1S/C7H12N4O2/c1-11-6(3-4-9-11)5-8-7(12)10-13-2/h3-4H,5H2,1-2H3,(H2,8,10,12)
InChIKeyTVYLCMYBGBYRRR-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.22
Rot. Bonds3

About 1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea

1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea (PubChem CID 131154196) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
PubChem CID131154196
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCONC(=O)NCc1ccnn1C
InChIInChI=1S/C7H12N4O2/c1-11-6(3-4-9-11)5-8-7(12)10-13-2/h3-4H,5H2,1-2H3,(H2,8,10,12)
InChIKeyTVYLCMYBGBYRRR-UHFFFAOYSA-N
XLogP-0.22
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303802
1-amino-N-[(2-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 63302989
2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303675
2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302394
1-methoxy-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 130718702
3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 64678263
1-[(1-hydroxycyclohexyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 110936584
1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 36977921
N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 47414086
2-(4-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63304660

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea (CID 131154196) is 1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea is CONC(=O)NCc1ccnn1C.
What is the InChIKey of 1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea?
The InChIKey is TVYLCMYBGBYRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-11-6(3-4-9-11)5-8-7(12)10-13-2/h3-4H,5H2,1-2H3,(H2,8,10,12).
What are the key properties of 1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea?
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea has a molecular weight of 184.20 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 131154196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).